CID 64336

Piperazine, 1-(1-adamantyl)-4-benzyl-, dihydrochloride

Structural Information

Molecular Formula
C21H30N2
SMILES
C1CN(CCN1CC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C21H30N2/c1-2-4-17(5-3-1)16-22-6-8-23(9-7-22)21-13-18-10-19(14-21)12-20(11-18)15-21/h1-5,18-20H,6-16H2
InChIKey
ZGBDQHJRNAJCHU-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-4-benzylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2409 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24818 171.1
[M+Na]+ 333.23012 169.7
[M-H]- 309.23362 167.9
[M+NH4]+ 328.27472 188.6
[M+K]+ 349.20406 163.8
[M+H-H2O]+ 293.23816 157.8
[M+HCOO]- 355.23910 171.5
[M+CH3COO]- 369.25475 175.8
[M+Na-2H]- 331.21557 177.8
[M]+ 310.24035 164.8
[M]- 310.24145 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.